(E)-5-[bis(azanyl)methylideneamino]-2-(ethynylamino)pent-3-enoic acid

Systemtic Name: (E)-5-[bis(azanyl)methylideneamino]-2-(ethynylamino)pent-3-enoic acid Openeye Name: (E)-2-(ethynylamino)-5-guanidino-pent-3-enoic acid CAS Name: (E)-5-(diaminomethylideneamino)-2-(ethynylamino)-3-pentenoic acid IUPAC Name: (E)-5-(diaminomethylideneamino)-2-(ethynylamino)pent-3-enoic acid Traditional Name: (E)-2-(ethynylamino)-5-guanidino-pent-3-enoic acid Formula: C8H12N4O2 MolecularWeight: 196.20648

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Descriptors Computed from Structure

Canonical SMILES:

C#CNC(C=CCN=C(N)N)C(=O)O

Isomeric SMILES

C#CNC(/C=C/CN=C(N)N)C(=O)O

InChI

InChI=1S/C8H12N4O2/c1-2-11-6(7(13)14)4-3-5-12-8(9)10/h1,3-4,6,11H,5H2,(H,13,14)(H4,9,10,12)/b4-3+